2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C23H21N3O3 — CID 16750245

IUPAC2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1ccc(O)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C23H21N3O3/c1-26-21(28)23(25-22(26)24,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(29-2)11-12-20(19)27/h3-14,27H,1-2H3,(H2,24,25)
InChIKeyZJRWOHCJRPHTTN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 16750245) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID16750245
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1ccc(O)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C23H21N3O3/c1-26-21(28)23(25-22(26)24,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(29-2)11-12-20(19)27/h3-14,27H,1-2H3,(H2,24,25)
InChIKeyZJRWOHCJRPHTTN-UHFFFAOYSA-N
XLogP3.10
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 143463779
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2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
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2-amino-5-[3-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methoxyphenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;hydrochloride
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2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
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2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
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2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 16750245) is 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is COc1ccc(O)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is ZJRWOHCJRPHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-26-21(28)23(25-22(26)24,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(29-2)11-12-20(19)27/h3-14,27H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 16750245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).